HRID107872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734361

Indole-5-boronic acid

C8H8BNO2

HCID21072604

3-(4-Iodophenoxy)-1-azabicyclo[2.2.2]octane

C13H16INO

PRODUCTS

生成物

结构：c1cc2cc(-c3ccc(OC4CN5CCC4CC5)cc3)ccc2[nH]1

HCID11324611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f510f49de5646bd9e8d2b1307c389c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[F-:35].[I:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1.[K+:29].[K+:30].[K+:36].[O-:31][C:32]([O-:33])=[O:34].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44].[nH:17]1[cH:18][cH:19][c:20]2[cH:21][c:22]([B:26]([OH:27])[OH:28])[cH:23][cH:24][c:25]12>>[c:2]1(-[c:22]2[cH:21][c:20]3[cH:19][cH:18][nH:17][c:25]3[cH:24][cH:23]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1